SCHEMBL30150602

SCHEMBL30150602

COc1ccc(C(=O)N2CCC(COc3ccc(-c4ccc(C#N)cc4)cc3)(C(N)=O)C2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.84
PTGER4 P35408 1/20 0.84
PTGDR Q13258 1/20 0.84
CYP3A4 P08684 7/20 0.56
CYP2D6 P10635 2/20 0.56
USP2 O75604 9/20 0.55
TSHR P16473 7/20 0.55
CYP2C9 P11712 4/20 0.55
CYP1A2 P05177 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
GRM3 Q14832 1/20 0.47
HIF1A Q16665 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30150607 1.00 PTGER2 (0.84) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL24818809 0.91 PTGER2 (0.70) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL2432927 0.91 PTGER2 (1.00) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL24817251 0.90 PTGER2 (0.80) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL30925661 0.89 PTGER2 (0.81) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL24817542 0.89 PTGER4 (0.81) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL24817294 0.89 PTGER2 (0.81) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL2435176 0.88 PTGER4 (0.80) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL24817248 0.88 PTGER2 (0.80) PTGER2PTGER4PTGDRCYP3A4CYP2D6
SCHEMBL24817250 0.88 PTGER2 (0.80) PTGER2PTGER4PTGDRCYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359399-A1 EP2 ANTAGONIST COMPOUNDS Reservoir Neuroscience, Inc. (US) 2024-05-01 EP disclosed
WO-2022272062-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed